Distance Restraints

To create distance restraints, go to the Structure menu and select Make Distance Restraints. In the Settings tab you can set the main options for the kind of restraints you want to generate. At the top you select the Peak List on which you want to base your restraints. Under Restraint Distance Params you can set whether you want to use a Distance Function or Distance Bins. If you select the latter, you get a list of bins below (you may have to increase the size of the pop-up window to see it) which you can edit to suit your requirements. You can generate two different types of restraints: Assigned Restraints are made from assigned peaks only and if the assignment is unambiguous, then the restraints will be, too. Shift Match Restraints match the peak chemical shifts with your Shift List and generate ambiguous restraints. You can check the shift matching with Test Shift Match – this allows you to check for errenous peaks in advance. The ability to select a Labelling Scheme is particularly useful if you intend to make Shift Match Restraints for a sample with glycerol-based labelling. The Residue Ranges, Shift Match Tolerances and Chem Shift Ranges tabs allow you to select further options.